N-[3-(azepan-1-ium-1-yl)propyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C21H35N3O2+2 MolecularWeight: 361.5215

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C21H33N3O2/c25-21(22-10-5-13-23-11-3-1-2-4-12-23)20-8-6-19(7-9-20)18-24-14-16-26-17-15-24/h6-9H,1-5,10-18H2,(H,22,25)/p+2