3-[(E)-4-phenyl-3-(phenylmethyl)but-3-en-2-yl]-3-aza-6-azoniaspiro[5.6]dodecane

Systemtic Name: 3-[(E)-4-phenyl-3-(phenylmethyl)but-3-en-2-yl]-3-aza-6-azoniaspiro[5.6]dodecane Openeye Name: 3-[(E)-2-benzyl-1-methyl-3-phenyl-allyl]-3-aza-6-azoniaspiro[5.6]dodecane CAS Name: 3-[(E)-4-phenyl-3-(phenylmethyl)but-3-en-2-yl]-3-aza-6-azoniaspiro[5.6]dodecane IUPAC Name: 3-[(E)-3-benzyl-4-phenylbut-3-en-2-yl]-3-aza-6-azoniaspiro[5.6]dodecane Traditional Name: 3-[(E)-2-benzyl-1-methyl-3-phenyl-allyl]-3-aza-6-azoniaspiro[5.6]dodecane Formula: C27H37N2+ MolecularWeight: 389.59608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=CC1=CC=CC=C1)CC2=CC=CC=C2)N3CC[N+]4(CCCCCC4)CC3

Isomeric SMILES

CC(/C(=C/C1=CC=CC=C1)/CC2=CC=CC=C2)N3CC[N+]4(CCCCCC4)CC3

InChI

InChI=1S/C27H37N2/c1-24(28-16-20-29(21-17-28)18-10-2-3-11-19-29)27(22-25-12-6-4-7-13-25)23-26-14-8-5-9-15-26/h4-9,12-15,22,24H,2-3,10-11,16-21,23H2,1H3/q+1/b27-22+