[(3S)-3-(4-methoxyphenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]azanium

Systemtic Name: [(3S)-3-(4-methoxyphenyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]azanium Openeye Name: [(3S)-3-(4-benzylpiperazin-4-ium-1-yl)-3-(4-methoxyphenyl)propyl]ammonium CAS Name: [(3S)-3-(4-methoxyphenyl)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]ammonium IUPAC Name: [(3S)-3-(4-benzylpiperazin-4-ium-1-yl)-3-(4-methoxyphenyl)propyl]azanium Traditional Name: [(3S)-3-(4-benzylpiperazin-4-ium-1-yl)-3-(4-methoxyphenyl)propyl]ammonium Formula: C21H31N3O+2 MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC[NH3+])N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC[NH3+])N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O/c1-25-20-9-7-19(8-10-20)21(11-12-22)24-15-13-23(14-16-24)17-18-5-3-2-4-6-18/h2-10,21H,11-17,22H2,1H3/p+2/t21-/m0/s1