(2S)-N-[4-(diethylamino)phenyl]-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-[4-(diethylamino)phenyl]-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-[4-(diethylamino)phenyl]-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-[4-(diethylamino)phenyl]-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-[4-(diethylamino)phenyl]-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-[4-(diethylamino)phenyl]-2-piperazin-4-ium-1-yl-propionamide Formula: C17H29N4O+ MolecularWeight: 305.43836

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C17H28N4O/c1-4-20(5-2)16-8-6-15(7-9-16)19-17(22)14(3)21-12-10-18-11-13-21/h6-9,14,18H,4-5,10-13H2,1-3H3,(H,19,22)/p+1/t14-/m0/s1