1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-[(2S)-pentan-2-yl]urea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-[(2S)-pentan-2-yl]urea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-[(1S)-1-methylbutyl]urea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-[(2S)-pentan-2-yl]urea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-[(2S)-pentan-2-yl]urea Traditional Name: 1-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-[(1S)-1-methylbutyl]urea Formula: C18H29ClN3O+ MolecularWeight: 338.89536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)NC1CC[NH+](CC1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC[C@H](C)NC(=O)NC1CC[NH+](CC1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H28ClN3O/c1-3-4-14(2)20-18(23)21-17-9-11-22(12-10-17)13-15-5-7-16(19)8-6-15/h5-8,14,17H,3-4,9-13H2,1-2H3,(H2,20,21,23)/p+1/t14-/m0/s1