N-(3-phenylpropyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: N-(3-phenylpropyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: N-(3-phenylpropyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: N-(3-phenylpropyl)-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: N-(3-phenylpropyl)-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: N-(3-phenylpropyl)-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C16H26N3O3S+ MolecularWeight: 340.46094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C16H25N3O3S/c20-16(18-9-4-7-15-5-2-1-3-6-15)8-14-23(21,22)19-12-10-17-11-13-19/h1-3,5-6,17H,4,7-14H2,(H,18,20)/p+1