[1-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]piperidin-4-yl]azanium

Systemtic Name: [1-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]piperidin-4-yl]azanium Openeye Name: [1-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-4-piperidyl]ammonium CAS Name: [1-[(2S)-1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)propyl]-4-piperidinyl]ammonium IUPAC Name: [1-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]piperidin-4-yl]azanium Traditional Name: [1-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-4-piperidyl]ammonium Formula: C18H30N4O+2 MolecularWeight: 318.457

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)[NH3+])[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)[NH3+])[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H28N4O/c1-15(18(23)22-9-7-16(19)8-10-22)20-11-13-21(14-12-20)17-5-3-2-4-6-17/h2-6,15-16H,7-14,19H2,1H3/p+2/t15-/m0/s1