N-[1-(2-acetamidoethyl)-3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-pyridin-4-yl-piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[1-(2-acetamidoethyl)-3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-pyridin-4-yl-piperidin-1-ium-4-yl]propanamide Openeye Name: N-[1-(2-acetamidoethyl)-3-[(6-chloro-2-naphthyl)sulfonyl]-1-(4-pyridyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-[1-(2-acetamidoethyl)-3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-pyridin-4-yl-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[1-(2-acetamidoethyl)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-pyridin-4-ylpiperidin-1-ium-4-yl]propanamide Traditional Name: N-[1-(2-acetamidoethyl)-3-[(6-chloro-2-naphthyl)sulfonyl]-1-(4-pyridyl)piperidin-1-ium-4-yl]propionamide Formula: C27H32ClN4O4S+ MolecularWeight: 544.08538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1CC[N+](CC1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)(CCNC(=O)C)C4=CC=NC=C4

Isomeric SMILES

CCC(=O)NC1CC[N+](CC1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)(CCNC(=O)C)C4=CC=NC=C4

InChI

InChI=1S/C27H31ClN4O4S/c1-3-27(34)31-25-10-14-32(15-13-30-19(2)33,23-8-11-29-12-9-23)18-26(25)37(35,36)24-7-5-20-16-22(28)6-4-21(20)17-24/h4-9,11-12,16-17,25-26H,3,10,13-15,18H2,1-2H3,(H-,30,31,33,34)/p+1