1-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(4-methylphenyl)piperazin-1-ium

Systemtic Name: 1-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(4-methylphenyl)piperazin-1-ium Openeye Name: 1-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(p-tolyl)piperazin-1-ium CAS Name: 1-[[(3S)-1-(2-methoxyethyl)-3-pyrrolidinyl]methyl]-4-(4-methylphenyl)piperazin-1-ium IUPAC Name: 1-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(4-methylphenyl)piperazin-1-ium Traditional Name: 1-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(p-tolyl)piperazin-1-ium Formula: C19H32N3O+ MolecularWeight: 318.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC3CCN(C3)CCOC

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)C[C@H]3CCN(C3)CCOC

InChI

InChI=1S/C19H31N3O/c1-17-3-5-19(6-4-17)22-11-9-21(10-12-22)16-18-7-8-20(15-18)13-14-23-2/h3-6,18H,7-16H2,1-2H3/p+1/t18-/m0/s1