(3S,4S)-1-[(4-phenylphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-[(4-phenylphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(4-phenylphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[(4-phenylphenyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(4-phenylphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-(4-phenylbenzyl)-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C26H32N4O+2 MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C[NH+](CC2O)CC3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1[C@H]2C[NH+](C[C@@H]2O)CC3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H30N4O/c31-25-20-28(18-21-9-11-23(12-10-21)22-6-2-1-3-7-22)19-24(25)29-14-16-30(17-15-29)26-8-4-5-13-27-26/h1-13,24-25,31H,14-20H2/p+2/t24-,25-/m0/s1